iterations/neb0_image03_iter48_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209880604442E+04 0.20988E+04 -0.11600E+05 1696 0.105E+03
DAV: 2 -0.139146405983E+03 -0.22380E+04 -0.21481E+04 2160 0.262E+02
DAV: 3 -0.464027672481E+03 -0.32488E+03 -0.31936E+03 1920 0.107E+02
DAV: 4 -0.476938634299E+03 -0.12911E+02 -0.12865E+02 1944 0.227E+01
DAV: 5 -0.477392701414E+03 -0.45407E+00 -0.45383E+00 2128 0.377E+00 0.433E+01
DAV: 6 -0.453113058556E+03 0.24280E+02 -0.14752E+02 2032 0.318E+01 0.423E+01
DAV: 7 -0.453868521854E+03 -0.75546E+00 -0.83609E+01 1808 0.145E+01 0.219E+01
DAV: 8 -0.447417642293E+03 0.64509E+01 -0.98585E+00 1864 0.845E+00 0.136E+01
DAV: 9 -0.446980131210E+03 0.43751E+00 -0.20225E+01 2016 0.109E+01 0.120E+01
DAV: 10 -0.446139536953E+03 0.84059E+00 -0.36993E+00 1832 0.343E+00 0.107E+01
DAV: 11 -0.445556635171E+03 0.58290E+00 -0.36107E-01 1912 0.188E+00 0.955E+00
DAV: 12 -0.444513603208E+03 0.10430E+01 -0.28107E+00 2024 0.419E+00 0.107E+01
DAV: 13 -0.444595488950E+03 -0.81886E-01 -0.12777E+01 1968 0.345E+00 0.595E+00
DAV: 14 -0.444190221813E+03 0.40527E+00 -0.27217E-01 1824 0.128E+00 0.297E+00
DAV: 15 -0.444172653597E+03 0.17568E-01 -0.72665E-01 1928 0.917E-01 0.354E+00
DAV: 16 -0.444175134182E+03 -0.24806E-02 -0.11565E-01 1992 0.656E-01 0.148E+00
DAV: 17 -0.444180713292E+03 -0.55791E-02 -0.14768E-02 1840 0.367E-01 0.152E+00
DAV: 18 -0.444176759812E+03 0.39535E-02 -0.59851E-03 1856 0.203E-01 0.133E+00
DAV: 19 -0.444173988192E+03 0.27716E-02 -0.74131E-03 2064 0.242E-01 0.733E-01
DAV: 20 -0.444179341243E+03 -0.53531E-02 -0.21809E-03 1832 0.131E-01 0.679E-02
DAV: 21 -0.444180994315E+03 -0.16531E-02 -0.53060E-04 1944 0.532E-02 0.536E-02
DAV: 22 -0.444182151917E+03 -0.11576E-02 -0.13523E-04 1824 0.287E-02 0.509E-02
DAV: 23 -0.444183689096E+03 -0.15372E-02 -0.29485E-04 1968 0.470E-02 0.470E-02
DAV: 24 -0.444184353740E+03 -0.66464E-03 -0.10507E-04 1872 0.221E-02 0.264E-02
DAV: 25 -0.444184615368E+03 -0.26163E-03 -0.49773E-05 1664 0.208E-02 0.758E-02
DAV: 26 -0.444184708511E+03 -0.93143E-04 -0.30888E-05 1456 0.165E-02 0.354E-02
DAV: 27 -0.444184817081E+03 -0.10857E-03 -0.14623E-05 1312 0.807E-03 0.290E-02
DAV: 28 -0.444184850918E+03 -0.33837E-04 -0.45362E-06 1048 0.621E-03 0.981E-03
DAV: 29 -0.444184884228E+03 -0.33310E-04 -0.29357E-06 1016 0.425E-03 0.124E-02
DAV: 30 -0.444184902768E+03 -0.18540E-04 -0.93234E-07 944 0.262E-03 0.554E-03
DAV: 31 -0.444184916966E+03 -0.14198E-04 -0.62964E-07 992 0.166E-03 0.215E-03
DAV: 32 -0.444184921653E+03 -0.46872E-05 -0.31677E-07 936 0.189E-03
1 F= -.44418492E+03 E0= -.44417323E+03 d E =-.350706E-01